N-[4-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide

Systemtic Name: N-[4-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide Openeye Name: N-[3-hydroxy-4-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide CAS Name: N-[3-hydroxy-4-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide IUPAC Name: N-[3-hydroxy-4-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]acetamide Traditional Name: N-[3-hydroxy-4-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-12(25)23-16-10-15-18(11-17(16)24(28)29)30-21(2,3)20(27)19(15)22-9-8-13-4-6-14(26)7-5-13/h4-7,10-11,19-20,22,26-27H,8-9H2,1-3H3,(H,23,25)